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Ligand

NameCHEMBL3400230
Molecular formulaC25H29N3OS
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
Molecular weight419.587
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50065719
Inchi KeyFLSLDCUYEQNDTF-XCYUPCBOSA-N
Inchi IDInChI=1S/C25H29N3OS/c1-3-17(2)23(26)16-28(25(29)22-15-21(22)24-27-13-14-30-24)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17,21-23H,3,15-16,26H2,1-2H3/t17-,21+,22+,23+/m0/s1
PubChem CID118727639
ChEMBLCHEMBL3400230
IUPHARN/A
BindingDB50065719
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444948Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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